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octyl 3-fluoranyl-4-(5-octyl-1,3-dioxan-2-yl)benzoate

octyl 3-fluoranyl-4-(5-octyl-1,3-dioxan-2-yl)benzoate

Systemtic Name:octyl 3-fluoranyl-4-(5-octyl-1,3-dioxan-2-yl)benzoate
Openeye Name:octyl 3-fluoro-4-(5-octyl-1,3-dioxan-2-yl)benzoate
CAS Name:3-fluoro-4-(5-octyl-1,3-dioxan-2-yl)benzoic acid octyl ester
IUPAC Name:octyl 3-fluoro-4-(5-octyl-1,3-dioxan-2-yl)benzoate
Traditional Name:3-fluoro-4-(5-octyl-1,3-dioxan-2-yl)benzoic acid octyl ester
Formula: C27H43FO4
MolecularWeight: 450.626323
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OCCCCCCCC)F


Isomeric SMILES

CCCCCCCCC1COC(OC1)C2=C(C=C(C=C2)C(=O)OCCCCCCCC)F


InChI

InChI=1S/C27H43FO4/c1-3-5-7-9-11-13-15-22-20-31-27(32-21-22)24-17-16-23(19-25(24)28)26(29)30-18-14-12-10-8-6-4-2/h16-17,19,22,27H,3-15,18,20-21H2,1-2H3


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